4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline

C21H26FN3 — CID 83976530

IUPAC4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CC(CN)c2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C21H26FN3/c1-3-25(4-2)18-8-5-15(6-9-18)11-16(13-23)20-14-24-21-10-7-17(22)12-19(20)21/h5-10,12,14,16,24H,3-4,11,13,23H2,1-2H3
InChIKeyBWGULJNHVRXZDK-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.44
Rot. Bonds7

About 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline

4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline (PubChem CID 83976530) has the molecular formula C21H26FN3 and a molecular weight of 339.46 g/mol. Its IUPAC name is 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline.

Molecular Properties

Compound Name4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
PubChem CID83976530
Molecular FormulaC21H26FN3
Molecular Weight339.46 g/mol
Exact Mass339.21
IUPAC Name4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(CC(CN)c2c[nH]c3ccc(F)cc23)cc1
InChIInChI=1S/C21H26FN3/c1-3-25(4-2)18-8-5-15(6-9-18)11-16(13-23)20-14-24-21-10-7-17(22)12-19(20)21/h5-10,12,14,16,24H,3-4,11,13,23H2,1-2H3
InChIKeyBWGULJNHVRXZDK-UHFFFAOYSA-N
XLogP4.44
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(5-fluoro-1H-indol-3-yl)-3-(3-fluorophenyl)propan-1-amine
CID 83976575
3-(3,4-dimethoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976531
4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline
CID 83976395
3-(5-fluoro-1H-indol-3-yl)pentan-1-amine
CID 57147957
2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 13060
3-(3-ethoxy-2-methoxyphenyl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 83976577
3-(1-ethyl-2-methylindol-3-yl)-2-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 112539142
1-(5-fluoro-1H-indol-3-yl)propan-1-amine
CID 55297904
2-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 83987557
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
N-[4-(diethylamino)phenyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209328
N,N-diethyl-4-fluoroaniline
CID 592416

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline?
The IUPAC name of 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline (CID 83976530) is 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline.
What is the SMILES notation for 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline?
The canonical SMILES for 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline is CCN(CC)c1ccc(CC(CN)c2c[nH]c3ccc(F)cc23)cc1.
What is the InChIKey of 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline?
The InChIKey is BWGULJNHVRXZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3/c1-3-25(4-2)18-8-5-15(6-9-18)11-16(13-23)20-14-24-21-10-7-17(22)12-19(20)21/h5-10,12,14,16,24H,3-4,11,13,23H2,1-2H3.
What are the key properties of 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline?
4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline has a molecular weight of 339.46 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-2-(5-fluoro-1H-indol-3-yl)propyl]-N,N-diethylaniline is sourced from PubChem (CID 83976530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).